Binuclear nickel(II) complexes with 3,5-di-tert-butylbenzoate and 3,5-di-tert-butyl-4-hydroxybenzoate anions and 2,3-lutidine: the synthesis, structure, and magnetic properties

被引:21
|
作者
Nikolaevskii, S. A. [1 ]
Kiskin, M. A. [1 ]
Starikova, A. A. [2 ]
Efimov, N. N. [1 ]
Sidorov, A. A. [1 ]
Novotortsev, V. M. [1 ]
Eremenko, I. L. [1 ]
机构
[1] Russian Acad Sci, NS Kurnakov Inst Gen & Inorgan Chem, 31 Leninsky Prosp, Moscow 119991, Russia
[2] Southern Fed Univ, Inst Phys & Organ Chem, 194-2 Prosp Stachki, Rostov Na Donu 344090, Russia
基金
俄罗斯科学基金会;
关键词
nickel(II) complexes; carboxylate complexes; X-ray diffraction; magnetic properties; quantum chemical calculations; METAL-ORGANIC FRAMEWORKS; TRIMETHYLACETATE COMPLEXES; CRYSTAL-STRUCTURE; BUILDING UNITS; POLYMERS; LIGANDS; CARBOXYLATES; DIMERS; COPPER(II); EXCHANGE;
D O I
10.1007/s11172-016-1661-z
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Two novel binuclear nickel(II) complexes [Ni-2(O2CR)(4)(2,3-lut)(2)] (O2CR is anion of 3,5-di(tert-butyl)benzoic acid (bzo, 1) and 4-hydroxy-3,5-di(tert-butyl)benzoic acid (hbzo, 2); 2,3-lut is 2,3-lutidine) with four carboxylate bridges were synthesized. The structure of complex 1 was determined by X-ray diffraction. Both dimers 1 and 2 were characterized by elemental analysis, IR spectroscopy, and magnetic measurements. The presence of the alpha-substituent in the apical lutidine ligand leads to a distortion of the geometry of the metal carboxylate core in complex 1 as a result of short steric contacts Me(Lut)...O(OOCR) (3.134(7) ). This is apparently responsible for a considerable decrease in the exchange parameters of complexes 1 and 2 (J = -30.0 and -23.6 cm(-1), respectively) as compared to known analogues. Density functional calculations of the structure and magnetic properties of 1 and 2 were carried out by the UB3LYP/6-31G(d,p) method.
引用
收藏
页码:2812 / 2819
页数:8
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